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3Â¥: Originally posted by souledge at 2012-02-05 22:04:47:
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[code]
  ! INPUT from standard input:
  !    emax  degaussq  ngaussq
  !    nks
  !    q(1,1)    q(2,1)    q(3,1)    wk(1)
  !      ...      ...

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5Â¥2012-02-20 10:17:06
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souledge

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ben_ladeng(½ð±Ò+2, ר¼Ò¿¼ºË): ¸Ðл 2012-02-06 00:26:37
û¹ØÐĹý³¬µ¼·½Ã棬²»¹ý´ÓPWscfµÄÊÖ²áÀ´¿´£¬PWscf¿ÉÒÔ×öµÄ¹¤×÷²Î¼ûexample 07¡£
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¾ßÌåµÄË㷨żûÏêϸ¿´¡«¹ØÓÚ³¬µ¼µÄ¼ÆËãºÍÀíÂÛ£¬¿ÉÒԲο¼Ê飺Theory of Superconductivity-From weak to strong coupling, A.S.Alexandrov[Öø], Institute of Physics Publishing 2003Äê³ö°æ¡£
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2Â¥2012-02-05 22:01:06
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souledge

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gloomy2004(½ð±Ò+10): ¡ï¡ï¡ïºÜÓаïÖú ÎÒÒ²ÈÏΪÖмä¹ý³Ì¿ÉÒÔ²úÉúÓÃÀ´×öÕâ¸öͼµÄÎļþ£¬¾ÍÊÇûÕÒµ½ÊÇÄĸöÎļþ£¿Ð»Ð»Äú¡£ 2012-02-05 22:10:47
gloomy2004(½ð±Ò+10): ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ ¿´À´Ô´´úÂ룬 ÎÒµÃѧϰ¿´ÁË¡£ 2012-02-05 22:22:23
ben_ladeng(ר¼Ò¿¼ºË): 2012-02-06 00:26:47
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CODE:
  ! INPUT from standard input:
  !    emax  degaussq  ngaussq
  !    nks
  !    q(1,1)    q(2,1)    q(3,1)    wk(1)
  !      ...       ...       ...      ...
  !    q(1,nks)  q(2,nks)  q(3,nks)  wk(nks)
  !    filelph(1)
  !     ...
  !    filelph(nks)
  !
  ! emax (THz)    : alpha2F is plotted from 0 to "emax" in "nex" steps
  ! degaussq (THz): gaussian smearing for sum over q
  !                 NB: not the same used in phonon !
  ! ngaussq       : 0 for simple gaussian, 1 for Methfessel-Paxton etc.
  ! nks           : number of q-points used in the sum
  ! q, wk         : q-points and weights
  ! filelph       : output files from phonon, one for each q-point
  !                 May contain "nsig" calculations done with different
  !                 broadenings for the sum over k - all of them are used
  !
  ! OUTPUT in xmgr-readable format: files 'lambda.dat' and 'alpha2F.dat'
  !

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3Â¥2012-02-05 22:04:47
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souledge

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ben_ladeng(ר¼Ò¿¼ºË): 2012-02-06 00:27:00
liliangfang(½ð±Ò+1): ¶àлÌáʾ 2012-02-06 09:05:33
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4Â¥2012-02-05 23:04:46
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